N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide

C26H27N5O2 — CID 143984928

IUPACN-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide
SMILESC=Cc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2N2CCOCC2)cc1C=C
InChIInChI=1S/C26H27N5O2/c1-4-20-7-6-19(13-21(20)5-2)16-28-26(32)23-14-24(22-12-18(3)15-27-17-22)29-30-25(23)31-8-10-33-11-9-31/h4-7,12-15,17H,1-2,8-11,16H2,3H3,(H,28,32)
InChIKeyZOAATFKUIFRUBZ-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.90
Rot. Bonds7

About N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide

N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide (PubChem CID 143984928) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide
PubChem CID143984928
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide
SMILESC=Cc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2N2CCOCC2)cc1C=C
InChIInChI=1S/C26H27N5O2/c1-4-20-7-6-19(13-21(20)5-2)16-28-26(32)23-14-24(22-12-18(3)15-27-17-22)29-30-25(23)31-8-10-33-11-9-31/h4-7,12-15,17H,1-2,8-11,16H2,3H3,(H,28,32)
InChIKeyZOAATFKUIFRUBZ-UHFFFAOYSA-N
XLogP3.90
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide?
The IUPAC name of N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide (CID 143984928) is N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide is C=Cc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nnc2N2CCOCC2)cc1C=C.
What is the InChIKey of N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide?
The InChIKey is ZOAATFKUIFRUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-4-20-7-6-19(13-21(20)5-2)16-28-26(32)23-14-24(22-12-18(3)15-27-17-22)29-30-25(23)31-8-10-33-11-9-31/h4-7,12-15,17H,1-2,8-11,16H2,3H3,(H,28,32).
What are the key properties of N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide?
N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-bis(ethenyl)phenyl]methyl]-6-(5-methyl-3-pyridinyl)-3-morpholin-4-ylpyridazine-4-carboxamide is sourced from PubChem (CID 143984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).